(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol

C11H18O — CID 131042197

IUPAC(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@@H]1[C@H](O)CCC[C@H]1C(=C)C
InChIInChI=1S/C11H18O/c1-4-9-10(8(2)3)6-5-7-11(9)12/h4,9-12H,1-2,5-7H2,3H3/t9-,10-,11+/m0/s1
InChIKeyMOJSXIXADPCIOC-GARJFASQSA-N
MW166.26 g/mol
LogP2.53
Rot. Bonds2

About (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol

(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 131042197) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID131042197
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@@H]1[C@H](O)CCC[C@H]1C(=C)C
InChIInChI=1S/C11H18O/c1-4-9-10(8(2)3)6-5-7-11(9)12/h4,9-12H,1-2,5-7H2,3H3/t9-,10-,11+/m0/s1
InChIKeyMOJSXIXADPCIOC-GARJFASQSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol (CID 131042197) is (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol is C=C[C@@H]1[C@H](O)CCC[C@H]1C(=C)C.
What is the InChIKey of (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is MOJSXIXADPCIOC-GARJFASQSA-N. The full InChI is InChI=1S/C11H18O/c1-4-9-10(8(2)3)6-5-7-11(9)12/h4,9-12H,1-2,5-7H2,3H3/t9-,10-,11+/m0/s1.
What are the key properties of (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 131042197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).